[(Z)-1-bromo-3-chloroprop-1-enyl]benzene

C9H8BrCl — CID 23371515

IUPAC[(Z)-1-bromo-3-chloroprop-1-enyl]benzene
SMILESClC/C=C(\Br)c1ccccc1
InChIInChI=1S/C9H8BrCl/c10-9(6-7-11)8-4-2-1-3-5-8/h1-6H,7H2/b9-6-
InChIKeyQVGNPSFCXYQYEZ-TWGQIWQCSA-N
MW231.52 g/mol
LogP3.66
Rot. Bonds2

About [(Z)-1-bromo-3-chloroprop-1-enyl]benzene

[(Z)-1-bromo-3-chloroprop-1-enyl]benzene (PubChem CID 23371515) has the molecular formula C9H8BrCl and a molecular weight of 231.52 g/mol. Its IUPAC name is [(Z)-1-bromo-3-chloroprop-1-enyl]benzene.

Molecular Properties

Compound Name[(Z)-1-bromo-3-chloroprop-1-enyl]benzene
PubChem CID23371515
Molecular FormulaC9H8BrCl
Molecular Weight231.52 g/mol
Exact Mass229.95
IUPAC Name[(Z)-1-bromo-3-chloroprop-1-enyl]benzene
SMILESClC/C=C(\Br)c1ccccc1
InChIInChI=1S/C9H8BrCl/c10-9(6-7-11)8-4-2-1-3-5-8/h1-6H,7H2/b9-6-
InChIKeyQVGNPSFCXYQYEZ-TWGQIWQCSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.52
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-bromo-3-chloroprop-1-enyl]benzene?
The IUPAC name of [(Z)-1-bromo-3-chloroprop-1-enyl]benzene (CID 23371515) is [(Z)-1-bromo-3-chloroprop-1-enyl]benzene.
What is the SMILES notation for [(Z)-1-bromo-3-chloroprop-1-enyl]benzene?
The canonical SMILES for [(Z)-1-bromo-3-chloroprop-1-enyl]benzene is ClC/C=C(\Br)c1ccccc1.
What is the InChIKey of [(Z)-1-bromo-3-chloroprop-1-enyl]benzene?
The InChIKey is QVGNPSFCXYQYEZ-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H8BrCl/c10-9(6-7-11)8-4-2-1-3-5-8/h1-6H,7H2/b9-6-.
What are the key properties of [(Z)-1-bromo-3-chloroprop-1-enyl]benzene?
[(Z)-1-bromo-3-chloroprop-1-enyl]benzene has a molecular weight of 231.52 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-bromo-3-chloroprop-1-enyl]benzene is sourced from PubChem (CID 23371515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).